CID 3018347

N-(1-methylnonyl)acrylamide

Structural Information

Molecular Formula

C₁₃H₂₅NO

SMILES

CCCCCCCCC(C)NC(=O)C=C

InChI

InChI=1S/C13H25NO/c1-4-6-7-8-9-10-11-12(3)14-13(15)5-2/h5,12H,2,4,6-11H2,1,3H3,(H,14,15)

InChIKey

ZHGWIENOBKPCMX-UHFFFAOYSA-N

Compound name

N-decan-2-ylprop-2-enamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 211.19362 Da
Monoisotopic Mass: 4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	212.200896	156.6
[M+Na]+	234.182838	160.2
[M-H]-	210.186344	155.7
[M+NH4]+	229.227443	175.1
[M+K]+	250.156778	158.3
[M+H-H2O]+	194.190880	150.6
[M+HCOO]-	256.191821	177.7
[M+CH3COO]-	270.207471	194.3
[M+Na-2H]-	232.168286	157.5
[M]+	211.19307142	158.3
[M]-	211.19416858	158.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe